![2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone structure](/static/products/351/351008-61-2.png)
2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone
TL;DR: 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 351008-61-2) is a chemical compound with molecular formula C22H24ClN3OS2 and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone, 2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone, 2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
| Molecular Formula | C22H24ClN3OS2 |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 6.0529 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.10492 |
| Heavy Atoms | 29 |
| Complexity | 1070.3363 |
Chemical Identifiers
| CAS Number | 351008-61-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 351008-61-2), with molecular formula C22H24ClN3OS2 and molecular weight 445.10 g/mol. IUPAC: 2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone
Property Insights of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone
The XLogP value of 6.0529 indicates that 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone. Following Lipinski's Rule of Five, 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The CAS number of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is 351008-61-2.
What is the molecular formula of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is C22H24ClN3OS2.
What is the molecular weight of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone is 445.10 g/mol.
Where can I buy 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.